CID 2737243

28885-25-8

Structural Information

Molecular Formula

C₁₀H₁₁NO

SMILES

C1CC(C(=O)C1)C2=CC=CC=N2

InChI

InChI=1S/C10H11NO/c12-10-6-3-4-8(10)9-5-1-2-7-11-9/h1-2,5,7-8H,3-4,6H2

InChIKey

QCZFQABYDNWRHN-UHFFFAOYSA-N

Compound name

2-pyridin-2-ylcyclopentan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 161.08406 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	162.09134	132.8
[M+Na]+	184.07328	140.2
[M-H]-	160.07678	138.0
[M+NH4]+	179.11788	153.7
[M+K]+	200.04722	137.8
[M+H-H2O]+	144.08132	125.8
[M+HCOO]-	206.08226	155.6
[M+CH3COO]-	220.09791	175.5
[M+Na-2H]-	182.05873	137.7
[M]+	161.08351	130.0
[M]-	161.08461	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe